./iterations/neb0_image01_iter149.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image01

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.465688849514 0.250916521401 0.476330789119} O1 1 1
14 {} {0.327253053289 0.250920326075 0.56530052872} Si1 2 1
14 {} {0.597606095785 0.33470739959 0.427789962892} Si2 3 1
8 {} {0.555401551495 0.476637638108 0.355564024234} O2 4 1
8 {} {0.326526660094 0.378340292891 0.668721519866} O3 5 1
14 {} {0.257357565774 0.514151137851 0.730871252486} Si3 6 1
14 {} {0.536706727661 0.639423712429 0.3652715286} Si4 7 1
1 {} {0.324775217805 0.124523427981 0.643827127154} H1 8 1
1 {} {0.211271637071 0.259973115115 0.47200789894} H2 9 1
1 {} {0.668054147681 0.252397183956 0.326719098697} H3 10 1
1 {} {0.683808834345 0.365126837485 0.545435309117} H4 11 1
1 {} {0.111393606526 0.492675283714 0.750400871954} H5 12 1
1 {} {0.330366813332 0.539872751117 0.857818910907} H6 13 1
1 {} {0.397347446776 0.673129443502 0.326550659405} H7 14 1
1 {} {0.634779689317 0.707094015078 0.27515533863} H8 15 1
1 {} {0.559684813965 0.68723207652 0.506138375905} H10 16 1
8 {} {0.267390282421 0.643276583195 0.628279911154} O 17 1
1 {} {0.354672994247 0.682120149448 0.608874833946} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
12 5 0 0
1 0 0 0
2 0 0 0
16 5 0 0
4 1 0 0
3 2 0 0
17 16 0 0
11 5 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 16 5 {0 0 0} 0
4 4 1 {0 0 0} 0
5 3 2 {0 0 0} 0
6 16 17 {0 0 0} 0
7 5 11 {0 0 0} 0
8 7 1 {0 0 0} 0
9 8 1 {0 0 0} 0
10 6 3 {0 0 0} 0
11 5 4 {0 0 0} 0
12 10 2 {0 0 0} 0
13 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end